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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC1=NC(=NO1)COCC2CCNC2 |
|---|---|
| IUPAC Name | 5-ethyl-3-(pyrrolidin-3-ylmethoxymethyl)-1,2,4-oxadiazole |
| InChIKey | DMGYVPBLEZAFTD-UHFFFAOYSA-N |
| INCHI | 1S/C10H17N3O2/c1-2-10-12-9(13-15-10)7-14-6-8-3-4-11-5-8/h8,11H,2-7H2,1H3 |
| Molecular Weight | 211.26 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,2,4-oxadiazoles |
| Alternative Parents | Pyrrolidines Heteroaromatic compounds Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2,4-oxadiazole - Pyrrolidine - Heteroaromatic compound - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 2, and 4, respectively. |
| External Descriptors | Not available |
| Molecular Weight | 211.260 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 211.132 Da |
| Monoisotopic Mass | 211.132 Da |
| Topological Polar Surface Area | 60.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |